2-[3-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])S[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H22N4O3S/c1-2-6-14-20-21-18(22(14)11-15(23)24)26-16(12-7-4-3-5-8-12)17(25)19-13-9-10-13/h3-5,7-8,13,16H,2,6,9-11H2,1H3,(H,19,25)(H,23,24)/p-1/t16-/m0/s1